REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3bwe_1_G DATA FIRST_RESID 1203 DATA SEQUENCE SKRALVILAK GAEEXETVIP VDVXRRAGIK VTVAGLAGKD PVQCSRDVVI DATA SEQUENCE CPDASLEDAK KEGPYDVVVL PGGNLGAQNL SESAAVKEIL KEQENRKGLI DATA SEQUENCE AAICAGPTAL LAHEIGFGSK VTTHPLAKDK XXNGGHYTYS ENRVEKDGLI DATA SEQUENCE LTSRGPGTSF EFALAIVEAL NGKEVAAQVK APLVLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1203 S HA 0.000 nan 4.470 nan 0.000 0.327 1203 S C 0.000 174.600 174.600 0.000 0.000 1.055 1203 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 1203 S CB 0.000 63.201 63.200 0.001 0.000 0.593 1204 K N 2.076 122.478 120.400 0.003 0.000 2.440 1204 K HA 0.345 4.665 4.320 0.000 0.000 0.270 1204 K C 0.294 176.911 176.600 0.028 0.000 0.980 1204 K CA 0.115 56.408 56.287 0.010 0.000 0.953 1204 K CB 0.191 32.695 32.500 0.007 0.000 0.925 1204 K HN 0.733 nan 8.250 nan 0.000 0.497 1205 R N -0.079 120.454 120.500 0.055 0.000 2.803 1205 R HA 0.735 5.075 4.340 0.000 0.000 0.276 1205 R C -0.846 175.564 176.300 0.184 0.000 0.978 1205 R CA -0.978 55.195 56.100 0.122 0.000 0.939 1205 R CB 2.113 32.488 30.300 0.126 0.000 1.179 1205 R HN 0.662 nan 8.270 nan 0.000 0.472 1206 A N 1.733 124.658 122.820 0.174 0.000 2.449 1206 A HA 0.585 4.905 4.320 0.000 0.000 0.302 1206 A C -1.763 175.748 177.584 -0.121 0.000 1.048 1206 A CA -0.632 51.437 52.037 0.052 0.000 0.708 1206 A CB 1.627 20.620 19.000 -0.011 0.000 1.274 1206 A HN 0.486 nan 8.150 nan 0.000 0.410 1207 L N 2.821 123.838 121.223 -0.345 0.000 2.294 1207 L HA 0.636 4.976 4.340 0.000 0.000 0.283 1207 L C -1.054 175.659 176.870 -0.263 0.000 1.015 1207 L CA -0.258 54.247 54.840 -0.558 0.000 0.831 1207 L CB 1.466 42.915 42.059 -1.018 0.000 1.217 1207 L HN 0.417 nan 8.230 nan 0.000 0.420 1208 V N 6.872 126.679 119.914 -0.179 0.000 2.347 1208 V HA 0.401 4.521 4.120 0.000 0.000 0.280 1208 V C 0.278 176.316 176.094 -0.092 0.000 1.021 1208 V CA -0.427 61.813 62.300 -0.100 0.000 0.847 1208 V CB 1.338 33.124 31.823 -0.062 0.000 0.990 1208 V HN 0.551 nan 8.190 nan 0.000 0.444 1209 I N 6.194 126.720 120.570 -0.073 0.000 2.291 1209 I HA 0.273 4.443 4.170 0.000 0.000 0.290 1209 I C -0.295 175.799 176.117 -0.038 0.000 1.050 1209 I CA -0.254 61.012 61.300 -0.057 0.000 1.245 1209 I CB 1.011 38.983 38.000 -0.048 0.000 1.405 1209 I HN 0.337 nan 8.210 nan 0.000 0.478 1210 L N 7.263 128.465 121.223 -0.034 0.000 2.275 1210 L HA 0.771 5.111 4.340 0.000 0.000 0.288 1210 L C -0.251 176.606 176.870 -0.022 0.000 1.046 1210 L CA 0.038 54.862 54.840 -0.027 0.000 0.805 1210 L CB 1.110 43.154 42.059 -0.025 0.000 1.193 1210 L HN 0.689 nan 8.230 nan 0.000 0.426 1211 A N 5.488 128.296 122.820 -0.021 0.000 2.469 1211 A HA 0.456 4.776 4.320 0.000 0.000 0.299 1211 A C -0.638 176.935 177.584 -0.018 0.000 1.098 1211 A CA -0.846 51.181 52.037 -0.017 0.000 0.737 1211 A CB 1.158 20.148 19.000 -0.017 0.000 1.312 1211 A HN 0.747 nan 8.150 nan 0.000 0.414 1212 K N 0.220 120.612 120.400 -0.014 0.000 2.511 1212 K HA 0.320 4.640 4.320 0.000 0.000 0.280 1212 K C 1.128 177.717 176.600 -0.019 0.000 1.008 1212 K CA 1.607 57.885 56.287 -0.015 0.000 1.050 1212 K CB -0.081 32.413 32.500 -0.011 0.000 0.889 1212 K HN 1.924 nan 8.250 nan 0.000 0.484 1213 G N 1.867 110.654 108.800 -0.021 0.000 2.194 1213 G HA2 -0.277 3.683 3.960 0.000 0.000 0.236 1213 G HA3 -0.277 3.683 3.960 0.000 0.000 0.236 1213 G C 0.196 175.077 174.900 -0.032 0.000 0.987 1213 G CA 0.011 45.095 45.100 -0.026 0.000 0.635 1213 G HN 0.980 nan 8.290 nan 0.000 0.520 1214 A N 0.155 122.957 122.820 -0.031 0.000 2.507 1214 A HA 0.509 4.829 4.320 0.000 0.000 0.235 1214 A C 0.604 178.164 177.584 -0.038 0.000 1.070 1214 A CA 1.067 53.082 52.037 -0.036 0.000 0.768 1214 A CB 0.278 19.259 19.000 -0.032 0.000 1.011 1214 A HN 1.016 nan 8.150 nan 0.000 0.502 1215 E N 1.730 121.902 120.200 -0.046 0.000 2.029 1215 E HA 0.300 4.650 4.350 0.000 0.000 0.276 1215 E C 0.071 176.648 176.600 -0.039 0.000 1.163 1215 E CA -0.071 56.301 56.400 -0.047 0.000 0.909 1215 E CB -0.314 29.350 29.700 -0.060 0.000 1.046 1215 E HN 0.557 nan 8.360 nan 0.000 0.406 1219 T N 0.097 114.630 114.554 -0.035 0.000 3.053 1219 T HA 0.029 4.379 4.350 0.000 0.000 0.236 1219 T C 1.937 176.615 174.700 -0.037 0.000 0.996 1219 T CA 0.859 62.944 62.100 -0.025 0.000 1.185 1219 T CB 0.032 68.883 68.868 -0.027 0.000 0.892 1219 T HN -0.103 nan 8.240 nan 0.000 0.432 1220 V N 2.877 122.763 119.914 -0.048 0.000 2.287 1220 V HA -0.163 3.957 4.120 0.000 0.000 0.248 1220 V C 2.582 178.619 176.094 -0.095 0.000 1.053 1220 V CA 1.311 63.577 62.300 -0.057 0.000 1.027 1220 V CB -0.761 31.034 31.823 -0.046 0.000 0.646 1220 V HN 0.399 nan 8.190 nan 0.000 0.447 1221 I N 0.096 120.573 120.570 -0.155 0.000 2.118 1221 I HA -0.172 3.998 4.170 0.000 0.000 0.241 1221 I C 0.224 176.215 176.117 -0.210 0.000 1.070 1221 I CA 2.140 63.259 61.300 -0.302 0.000 1.327 1221 I CB -2.854 34.854 38.000 -0.488 0.000 1.034 1221 I HN 0.349 nan 8.210 nan 0.000 0.405 1222 P HA -0.058 nan 4.420 nan 0.000 0.216 1222 P C 2.224 179.487 177.300 -0.061 0.000 1.153 1222 P CA 0.969 64.033 63.100 -0.061 0.000 0.848 1222 P CB 0.053 31.768 31.700 0.026 0.000 0.787 1223 V N 0.247 120.131 119.914 -0.051 0.000 2.407 1223 V HA -0.223 3.897 4.120 0.000 0.000 0.248 1223 V C 2.212 178.284 176.094 -0.036 0.000 1.055 1223 V CA 2.091 64.367 62.300 -0.040 0.000 1.049 1223 V CB -1.095 30.709 31.823 -0.032 0.000 0.662 1223 V HN 0.184 nan 8.190 nan 0.000 0.455 1224 D N 0.147 120.520 120.400 -0.045 0.000 2.085 1224 D HA -0.066 4.574 4.640 0.000 0.000 0.199 1224 D C 1.264 177.552 176.300 -0.019 0.000 0.981 1224 D CA 0.851 54.834 54.000 -0.028 0.000 0.834 1224 D CB -0.073 40.709 40.800 -0.030 0.000 0.992 1224 D HN 0.226 nan 8.370 nan 0.000 0.457 1228 R N 1.233 121.736 120.500 0.005 0.000 2.148 1228 R HA 0.131 4.471 4.340 0.000 0.000 0.223 1228 R C 1.855 178.161 176.300 0.009 0.000 1.088 1228 R CA 1.374 57.481 56.100 0.011 0.000 0.985 1228 R CB 0.024 30.337 30.300 0.022 0.000 0.880 1228 R HN 0.111 nan 8.270 nan 0.000 0.451 1229 A N 0.091 122.913 122.820 0.004 0.000 2.206 1229 A HA 0.168 4.488 4.320 0.000 0.000 0.211 1229 A C 1.415 178.999 177.584 0.000 0.000 1.158 1229 A CA 0.836 52.873 52.037 0.001 0.000 0.761 1229 A CB -0.128 18.868 19.000 -0.007 0.000 0.801 1229 A HN 0.435 nan 8.150 nan 0.000 0.473 1230 G N -0.868 107.933 108.800 0.002 0.000 2.143 1230 G HA2 -0.239 3.721 3.960 0.000 0.000 0.249 1230 G HA3 -0.239 3.721 3.960 0.000 0.000 0.249 1230 G C 0.219 175.120 174.900 0.003 0.000 0.981 1230 G CA 0.307 45.409 45.100 0.003 0.000 0.665 1230 G HN 1.015 nan 8.290 nan 0.000 0.528 1231 I N 0.039 120.611 120.570 0.002 0.000 2.488 1231 I HA 0.596 4.766 4.170 0.000 0.000 0.299 1231 I C -0.202 175.924 176.117 0.014 0.000 0.984 1231 I CA -1.156 60.148 61.300 0.007 0.000 1.250 1231 I CB 0.714 38.714 38.000 0.001 0.000 1.389 1231 I HN -0.183 nan 8.210 nan 0.000 0.488 1232 K N 6.710 127.126 120.400 0.027 0.000 2.285 1232 K HA 0.350 4.670 4.320 0.000 0.000 0.286 1232 K C -1.038 175.596 176.600 0.057 0.000 1.072 1232 K CA -0.334 55.976 56.287 0.038 0.000 0.913 1232 K CB 1.358 33.883 32.500 0.043 0.000 1.067 1232 K HN 0.411 nan 8.250 nan 0.000 0.479 1233 V N 2.901 122.837 119.914 0.036 0.000 2.459 1233 V HA 0.280 4.400 4.120 0.000 0.000 0.295 1233 V C 0.030 176.137 176.094 0.021 0.000 1.029 1233 V CA -0.657 61.656 62.300 0.021 0.000 0.874 1233 V CB 1.961 33.780 31.823 -0.007 0.000 0.985 1233 V HN 0.652 nan 8.190 nan 0.000 0.438 1234 T N 4.261 118.819 114.554 0.006 0.000 2.788 1234 T HA 0.333 4.683 4.350 0.000 0.000 0.296 1234 T C -0.181 174.490 174.700 -0.049 0.000 1.009 1234 T CA -0.263 61.838 62.100 0.001 0.000 0.949 1234 T CB 1.220 70.118 68.868 0.052 0.000 0.946 1234 T HN 0.333 nan 8.240 nan 0.000 0.453 1235 V N 3.955 123.851 119.914 -0.030 0.000 2.352 1235 V HA 0.431 4.551 4.120 0.000 0.000 0.253 1235 V C 0.710 176.784 176.094 -0.034 0.000 1.083 1235 V CA -0.598 61.680 62.300 -0.037 0.000 0.993 1235 V CB -0.252 31.556 31.823 -0.024 0.000 1.111 1235 V HN 1.004 nan 8.190 nan 0.000 0.490 1236 A N 4.413 127.203 122.820 -0.051 0.000 2.289 1236 A HA 0.707 5.027 4.320 0.000 0.000 0.298 1236 A C 0.715 178.281 177.584 -0.029 0.000 1.208 1236 A CA -0.059 51.956 52.037 -0.038 0.000 0.845 1236 A CB 0.753 19.720 19.000 -0.054 0.000 1.125 1236 A HN 0.872 nan 8.150 nan 0.000 0.517 1237 G N 1.484 110.274 108.800 -0.017 0.000 2.333 1237 G HA2 0.416 4.376 3.960 0.000 0.000 0.290 1237 G HA3 0.416 4.376 3.960 0.000 0.000 0.290 1237 G C 0.678 175.572 174.900 -0.010 0.000 1.150 1237 G CA -0.350 44.742 45.100 -0.014 0.000 0.895 1237 G HN 0.786 nan 8.290 nan 0.000 0.444 1238 L N 3.979 125.195 121.223 -0.011 0.000 1.970 1238 L HA -0.097 4.243 4.340 0.000 0.000 0.212 1238 L C 2.842 179.711 176.870 -0.001 0.000 1.071 1238 L CA 2.880 57.717 54.840 -0.005 0.000 0.751 1238 L CB -0.565 41.491 42.059 -0.004 0.000 0.889 1238 L HN 0.534 nan 8.230 nan 0.000 0.432 1239 A N -1.499 121.320 122.820 -0.002 0.000 2.070 1239 A HA 0.388 4.708 4.320 0.000 0.000 0.220 1239 A C 1.260 178.844 177.584 0.000 0.000 1.159 1239 A CA 1.236 53.273 52.037 -0.000 0.000 0.656 1239 A CB -0.925 18.074 19.000 -0.002 0.000 0.800 1239 A HN 0.792 nan 8.150 nan 0.000 0.453 1240 G N -3.816 104.983 108.800 -0.001 0.000 2.340 1240 G HA2 0.440 4.400 3.960 0.000 0.000 0.282 1240 G HA3 0.440 4.400 3.960 0.000 0.000 0.282 1240 G C 0.374 175.274 174.900 -0.000 0.000 1.312 1240 G CA 0.295 45.395 45.100 0.001 0.000 0.942 1240 G HN 0.773 nan 8.290 nan 0.000 0.495 1241 K N -0.551 119.849 120.400 0.001 0.000 2.515 1241 K HA 0.212 4.532 4.320 0.000 0.000 0.196 1241 K C 0.808 177.408 176.600 -0.000 0.000 1.038 1241 K CA 1.870 58.158 56.287 0.001 0.000 0.967 1241 K CB -0.529 31.973 32.500 0.003 0.000 0.780 1241 K HN 0.593 nan 8.250 nan 0.000 0.483 1242 D N 0.329 120.728 120.400 -0.001 0.000 2.377 1242 D HA 0.244 4.884 4.640 0.000 0.000 0.245 1242 D C -2.347 173.951 176.300 -0.003 0.000 1.196 1242 D CA -2.105 51.894 54.000 -0.002 0.000 0.962 1242 D CB 0.644 41.443 40.800 -0.001 0.000 1.127 1242 D HN 0.035 nan 8.370 nan 0.000 0.471 1243 P HA 0.036 nan 4.420 nan 0.000 0.267 1243 P C -0.704 176.592 177.300 -0.006 0.000 1.200 1243 P CA 0.001 63.098 63.100 -0.004 0.000 0.772 1243 P CB 0.605 32.303 31.700 -0.004 0.000 0.855 1244 V N 2.607 122.516 119.914 -0.008 0.000 2.680 1244 V HA 0.358 4.478 4.120 0.000 0.000 0.309 1244 V C -0.055 176.033 176.094 -0.010 0.000 1.052 1244 V CA -0.615 61.680 62.300 -0.009 0.000 0.908 1244 V CB 1.729 33.545 31.823 -0.011 0.000 1.001 1244 V HN 0.451 nan 8.190 nan 0.000 0.431 1245 Q N 2.274 122.067 119.800 -0.010 0.000 2.368 1245 Q HA 0.384 4.724 4.340 0.000 0.000 0.256 1245 Q C -0.649 175.343 176.000 -0.014 0.000 0.980 1245 Q CA -0.447 55.349 55.803 -0.011 0.000 0.887 1245 Q CB 1.220 29.952 28.738 -0.010 0.000 1.221 1245 Q HN 0.930 nan 8.270 nan 0.000 0.458 1246 C N 1.220 120.510 119.300 -0.016 0.000 2.574 1246 C HA 0.134 4.594 4.460 0.000 0.000 0.335 1246 C C 2.325 177.303 174.990 -0.022 0.000 1.493 1246 C CA 0.059 59.065 59.018 -0.020 0.000 2.217 1246 C CB 0.621 28.349 27.740 -0.021 0.000 2.056 1246 C HN 1.061 nan 8.230 nan 0.000 0.607 1247 S N 0.519 116.203 115.700 -0.027 0.000 2.392 1247 S HA -0.207 4.263 4.470 0.000 0.000 0.232 1247 S C 1.143 175.728 174.600 -0.025 0.000 1.041 1247 S CA 1.574 59.756 58.200 -0.030 0.000 1.026 1247 S CB -0.322 62.854 63.200 -0.040 0.000 0.845 1247 S HN 0.734 nan 8.310 nan 0.000 0.465 1248 R N 0.675 121.163 120.500 -0.021 0.000 2.700 1248 R HA 0.317 4.657 4.340 0.000 0.000 0.377 1248 R C -0.392 175.901 176.300 -0.012 0.000 1.130 1248 R CA 0.215 56.305 56.100 -0.016 0.000 1.055 1248 R CB -0.234 30.058 30.300 -0.014 0.000 1.387 1248 R HN 0.227 nan 8.270 nan 0.000 0.580 1249 D N -1.904 118.489 120.400 -0.012 0.000 2.837 1249 D HA -0.175 4.465 4.640 0.000 0.000 0.195 1249 D C 0.235 176.530 176.300 -0.008 0.000 1.033 1249 D CA 1.416 55.410 54.000 -0.010 0.000 1.021 1249 D CB -1.426 39.369 40.800 -0.008 0.000 1.101 1249 D HN 0.287 nan 8.370 nan 0.000 0.431 1250 V N -0.434 119.475 119.914 -0.009 0.000 2.740 1250 V HA 0.368 4.488 4.120 0.000 0.000 0.303 1250 V C 0.537 176.626 176.094 -0.009 0.000 1.054 1250 V CA -0.404 61.892 62.300 -0.008 0.000 1.106 1250 V CB 1.682 33.500 31.823 -0.008 0.000 0.957 1250 V HN -0.040 nan 8.190 nan 0.000 0.486 1251 V N 7.191 127.101 119.914 -0.007 0.000 2.370 1251 V HA 0.477 4.597 4.120 0.000 0.000 0.279 1251 V C 0.264 176.353 176.094 -0.007 0.000 1.029 1251 V CA -0.317 61.979 62.300 -0.007 0.000 0.870 1251 V CB 1.031 32.851 31.823 -0.006 0.000 0.984 1251 V HN 0.821 nan 8.190 nan 0.000 0.451 1252 I N 3.837 124.402 120.570 -0.009 0.000 2.377 1252 I HA 0.368 4.538 4.170 0.000 0.000 0.293 1252 I C -0.267 175.845 176.117 -0.008 0.000 0.987 1252 I CA -0.311 60.983 61.300 -0.009 0.000 1.185 1252 I CB 1.706 39.699 38.000 -0.013 0.000 1.341 1252 I HN 0.527 nan 8.210 nan 0.000 0.455 1253 C N 7.354 126.650 119.300 -0.007 0.000 2.281 1253 C HA 0.339 4.799 4.460 0.000 0.000 0.336 1253 C C -1.921 173.065 174.990 -0.006 0.000 1.217 1253 C CA -1.239 57.776 59.018 -0.005 0.000 1.730 1253 C CB -0.452 27.286 27.740 -0.003 0.000 2.338 1253 C HN 0.468 nan 8.230 nan 0.000 0.521 1254 P HA 0.129 nan 4.420 nan 0.000 0.271 1254 P C 0.375 177.673 177.300 -0.004 0.000 1.218 1254 P CA 0.139 63.234 63.100 -0.008 0.000 0.780 1254 P CB 0.702 32.397 31.700 -0.009 0.000 0.901 1255 D N 0.322 120.720 120.400 -0.003 0.000 2.224 1255 D HA 0.050 4.690 4.640 0.000 0.000 0.205 1255 D C 0.898 177.203 176.300 0.007 0.000 0.965 1255 D CA 1.263 55.265 54.000 0.003 0.000 0.852 1255 D CB 0.170 40.974 40.800 0.006 0.000 0.947 1255 D HN 0.434 nan 8.370 nan 0.000 0.494 1256 A N -0.600 122.223 122.820 0.005 0.000 2.791 1256 A HA 0.645 4.965 4.320 0.000 0.000 0.309 1256 A C -1.226 176.360 177.584 0.004 0.000 1.200 1256 A CA -0.339 51.704 52.037 0.010 0.000 0.635 1256 A CB 0.897 19.910 19.000 0.022 0.000 1.393 1256 A HN 0.038 nan 8.150 nan 0.000 0.557 1257 S N -0.976 114.729 115.700 0.009 0.000 2.536 1257 S HA 0.588 5.058 4.470 0.000 0.000 0.287 1257 S C 0.676 175.282 174.600 0.010 0.000 1.101 1257 S CA -0.552 57.651 58.200 0.006 0.000 0.950 1257 S CB 1.094 64.298 63.200 0.007 0.000 1.056 1257 S HN 0.729 nan 8.310 nan 0.000 0.481 1258 L N 1.361 122.586 121.223 0.004 0.000 1.991 1258 L HA -0.251 4.089 4.340 0.000 0.000 0.221 1258 L C 3.393 180.278 176.870 0.024 0.000 1.079 1258 L CA 2.587 57.432 54.840 0.008 0.000 0.778 1258 L CB -1.302 40.758 42.059 0.003 0.000 0.893 1258 L HN 1.039 nan 8.230 nan 0.000 0.437 1259 E N 0.200 120.411 120.200 0.019 0.000 2.086 1259 E HA -0.330 4.020 4.350 0.000 0.000 0.205 1259 E C 1.706 178.324 176.600 0.030 0.000 1.027 1259 E CA 2.112 58.525 56.400 0.022 0.000 0.830 1259 E CB -0.926 28.782 29.700 0.015 0.000 0.751 1259 E HN 0.601 nan 8.360 nan 0.000 0.456 1260 D N -0.151 120.266 120.400 0.029 0.000 2.075 1260 D HA 0.030 4.670 4.640 0.000 0.000 0.196 1260 D C 2.368 178.704 176.300 0.060 0.000 0.985 1260 D CA 1.944 55.965 54.000 0.036 0.000 0.834 1260 D CB -0.901 39.916 40.800 0.029 0.000 0.987 1260 D HN 0.508 nan 8.370 nan 0.000 0.452 1261 A N 1.302 124.164 122.820 0.070 0.000 1.915 1261 A HA -0.331 3.989 4.320 0.000 0.000 0.220 1261 A C 2.074 179.784 177.584 0.210 0.000 1.198 1261 A CA 2.627 54.742 52.037 0.129 0.000 0.647 1261 A CB -0.771 18.265 19.000 0.061 0.000 0.825 1261 A HN 0.264 nan 8.150 nan 0.000 0.456 1262 K N -0.506 119.980 120.400 0.143 0.000 2.009 1262 K HA -0.221 4.099 4.320 0.000 0.000 0.210 1262 K C 2.400 179.066 176.600 0.110 0.000 1.049 1262 K CA 2.314 58.694 56.287 0.156 0.000 0.929 1262 K CB -0.406 32.145 32.500 0.085 0.000 0.714 1262 K HN 0.403 nan 8.250 nan 0.000 0.440 1263 K N 1.729 122.168 120.400 0.065 0.000 2.074 1263 K HA -0.130 4.190 4.320 0.000 0.000 0.209 1263 K C 0.742 177.348 176.600 0.011 0.000 1.048 1263 K CA 1.913 58.218 56.287 0.030 0.000 0.926 1263 K CB -0.941 31.572 32.500 0.022 0.000 0.713 1263 K HN 0.364 nan 8.250 nan 0.000 0.444 1264 E N 1.087 121.304 120.200 0.029 0.000 2.481 1264 E HA 0.172 4.522 4.350 0.000 0.000 0.240 1264 E C 1.184 177.687 176.600 -0.162 0.000 1.193 1264 E CA 0.531 56.917 56.400 -0.024 0.000 0.955 1264 E CB -1.086 28.643 29.700 0.049 0.000 1.006 1264 E HN 0.608 nan 8.360 nan 0.000 0.483 1265 G N 5.343 114.046 108.800 -0.161 0.000 2.403 1265 G HA2 -0.264 3.696 3.960 0.000 0.000 1.015 1265 G HA3 -0.264 3.696 3.960 0.000 0.000 1.015 1265 G C -1.848 172.838 174.900 -0.357 0.000 1.391 1265 G CA -0.619 44.350 45.100 -0.219 0.000 0.860 1265 G HN 0.356 nan 8.290 nan 0.000 0.496 1266 P HA 0.426 nan 4.420 nan 0.000 0.306 1266 P C -0.804 176.179 177.300 -0.528 0.000 1.301 1266 P CA 0.101 63.052 63.100 -0.248 0.000 0.744 1266 P CB 0.186 31.815 31.700 -0.117 0.000 1.400 1267 Y N -2.050 118.245 120.300 -0.008 0.000 2.409 1267 Y HA 0.102 4.652 4.550 -0.000 0.000 0.321 1267 Y C 0.350 176.242 175.900 -0.013 0.000 1.209 1267 Y CA -0.418 57.676 58.100 -0.010 0.000 1.086 1267 Y CB 0.942 39.397 38.460 -0.009 0.000 1.320 1267 Y HN 0.265 nan 8.280 nan 0.000 0.440 1268 D N 1.925 122.405 120.400 0.135 0.000 2.352 1268 D HA 0.112 4.752 4.640 0.000 0.000 0.232 1268 D C -0.324 176.009 176.300 0.055 0.000 1.055 1268 D CA 0.837 54.876 54.000 0.066 0.000 0.891 1268 D CB 1.093 41.913 40.800 0.034 0.000 0.897 1268 D HN 0.163 nan 8.370 nan 0.000 0.529 1269 V N 0.208 120.170 119.914 0.080 0.000 2.901 1269 V HA 0.100 4.220 4.120 0.000 0.000 0.257 1269 V C -1.931 174.155 176.094 -0.013 0.000 1.709 1269 V CA -0.961 61.351 62.300 0.021 0.000 0.926 1269 V CB 2.099 33.909 31.823 -0.023 0.000 1.291 1269 V HN -0.159 nan 8.190 nan 0.000 0.460 1270 V N 7.836 127.733 119.914 -0.029 0.000 2.409 1270 V HA 0.888 5.008 4.120 0.000 0.000 0.291 1270 V C -0.616 175.458 176.094 -0.034 0.000 1.020 1270 V CA 0.261 62.519 62.300 -0.070 0.000 0.848 1270 V CB 1.825 33.614 31.823 -0.057 0.000 0.990 1270 V HN 1.802 nan 8.190 nan 0.000 0.430 1271 V N 5.936 125.828 119.914 -0.035 0.000 2.483 1271 V HA 0.677 4.797 4.120 0.000 0.000 0.295 1271 V C -0.580 175.538 176.094 0.040 0.000 1.035 1271 V CA -0.740 61.581 62.300 0.035 0.000 0.896 1271 V CB 1.591 33.440 31.823 0.042 0.000 0.986 1271 V HN 0.794 nan 8.190 nan 0.000 0.447 1272 L N 5.597 126.865 121.223 0.074 0.000 2.294 1272 L HA 0.542 4.882 4.340 0.000 0.000 0.283 1272 L C -2.486 174.388 176.870 0.007 0.000 1.015 1272 L CA -1.651 53.201 54.840 0.020 0.000 0.831 1272 L CB 1.820 43.875 42.059 -0.006 0.000 1.217 1272 L HN 0.439 nan 8.230 nan 0.000 0.420 1273 P HA 0.145 nan 4.420 nan 0.000 0.275 1273 P C 0.252 177.513 177.300 -0.065 0.000 1.227 1273 P CA -0.097 62.981 63.100 -0.036 0.000 0.781 1273 P CB 1.131 32.815 31.700 -0.028 0.000 0.906 1274 G N 0.808 109.551 108.800 -0.094 0.000 2.504 1274 G HA2 0.460 4.420 3.960 0.000 0.000 0.257 1274 G HA3 0.460 4.420 3.960 0.000 0.000 0.257 1274 G C 0.553 175.406 174.900 -0.078 0.000 1.451 1274 G CA -0.239 44.805 45.100 -0.093 0.000 1.059 1274 G HN 0.726 nan 8.290 nan 0.000 0.550 1275 G N -1.510 107.239 108.800 -0.085 0.000 2.613 1275 G HA2 -0.144 3.816 3.960 0.000 0.000 0.199 1275 G HA3 -0.144 3.816 3.960 0.000 0.000 0.199 1275 G C 0.765 175.621 174.900 -0.074 0.000 0.991 1275 G CA 0.867 45.921 45.100 -0.077 0.000 0.756 1275 G HN 1.534 nan 8.290 nan 0.000 0.515 1276 N N -0.485 118.172 118.700 -0.072 0.000 2.629 1276 N HA -0.301 4.439 4.740 0.000 0.000 0.220 1276 N C 1.923 177.406 175.510 -0.045 0.000 0.198 1276 N CA 2.900 55.913 53.050 -0.060 0.000 4.104 1276 N CB -1.564 36.883 38.487 -0.067 0.000 0.889 1276 N HN 0.935 nan 8.380 nan 0.000 0.227 1277 L N -0.071 121.127 121.223 -0.042 0.000 2.005 1277 L HA 0.239 4.579 4.340 0.000 0.000 0.207 1277 L C 2.780 179.632 176.870 -0.031 0.000 1.072 1277 L CA 2.095 56.916 54.840 -0.032 0.000 0.744 1277 L CB -1.084 40.956 42.059 -0.030 0.000 0.895 1277 L HN 0.348 nan 8.230 nan 0.000 0.433 1278 G N -0.222 108.557 108.800 -0.036 0.000 2.408 1278 G HA2 -0.101 3.859 3.960 0.000 0.000 0.217 1278 G HA3 -0.101 3.859 3.960 0.000 0.000 0.217 1278 G C 1.775 176.652 174.900 -0.039 0.000 1.150 1278 G CA 0.781 45.860 45.100 -0.034 0.000 0.776 1278 G HN 0.478 nan 8.290 nan 0.000 0.542 1279 A N 0.179 122.971 122.820 -0.047 0.000 1.933 1279 A HA -0.078 4.242 4.320 0.000 0.000 0.218 1279 A C 2.239 179.793 177.584 -0.050 0.000 1.175 1279 A CA 1.999 54.004 52.037 -0.054 0.000 0.628 1279 A CB -0.462 18.503 19.000 -0.058 0.000 0.814 1279 A HN 0.449 nan 8.150 nan 0.000 0.444 1280 Q N -0.032 119.746 119.800 -0.037 0.000 1.993 1280 Q HA -0.216 4.124 4.340 0.000 0.000 0.202 1280 Q C 1.953 177.940 176.000 -0.022 0.000 0.984 1280 Q CA 1.940 57.727 55.803 -0.027 0.000 0.837 1280 Q CB -0.282 28.444 28.738 -0.018 0.000 0.902 1280 Q HN 0.835 nan 8.270 nan 0.000 0.423 1281 N N -0.043 118.646 118.700 -0.018 0.000 2.137 1281 N HA -0.204 4.536 4.740 0.000 0.000 0.190 1281 N C 1.925 177.432 175.510 -0.006 0.000 1.017 1281 N CA 1.084 54.129 53.050 -0.008 0.000 0.859 1281 N CB -0.116 38.365 38.487 -0.009 0.000 1.002 1281 N HN 0.228 nan 8.380 nan 0.000 0.428 1282 L N 0.648 121.854 121.223 -0.027 0.000 1.961 1282 L HA -0.153 4.187 4.340 0.000 0.000 0.210 1282 L C 2.411 179.243 176.870 -0.065 0.000 1.072 1282 L CA 1.066 55.885 54.840 -0.035 0.000 0.749 1282 L CB -0.682 41.338 42.059 -0.065 0.000 0.889 1282 L HN 0.124 nan 8.230 nan 0.000 0.432 1283 S N -0.446 115.168 115.700 -0.144 0.000 2.413 1283 S HA -0.261 4.209 4.470 0.000 0.000 0.237 1283 S C 1.763 176.365 174.600 0.004 0.000 1.044 1283 S CA 1.666 59.727 58.200 -0.233 0.000 1.024 1283 S CB -0.300 62.822 63.200 -0.131 0.000 0.829 1283 S HN 0.439 nan 8.310 nan 0.000 0.475 1284 E N 0.763 120.992 120.200 0.049 0.000 2.042 1284 E HA 0.062 4.412 4.350 0.000 0.000 0.189 1284 E C 0.924 177.599 176.600 0.126 0.000 0.974 1284 E CA 0.161 56.616 56.400 0.092 0.000 0.806 1284 E CB -0.048 29.680 29.700 0.045 0.000 0.769 1284 E HN 0.244 nan 8.360 nan 0.000 0.451 1285 S N 0.154 115.915 115.700 0.101 0.000 2.673 1285 S HA -0.020 4.450 4.470 0.000 0.000 0.308 1285 S C 0.962 175.630 174.600 0.113 0.000 1.246 1285 S CA 0.140 58.393 58.200 0.088 0.000 1.077 1285 S CB 0.810 64.049 63.200 0.065 0.000 0.814 1285 S HN 0.340 nan 8.310 nan 0.000 0.503 1286 A N 5.776 128.618 122.820 0.038 0.000 1.930 1286 A HA 0.124 4.444 4.320 0.000 0.000 0.217 1286 A C 2.416 179.979 177.584 -0.034 0.000 1.175 1286 A CA 1.615 53.632 52.037 -0.033 0.000 0.627 1286 A CB -1.231 17.748 19.000 -0.036 0.000 0.815 1286 A HN 1.183 nan 8.150 nan 0.000 0.443 1287 A N -0.413 122.410 122.820 0.005 0.000 1.883 1287 A HA -0.100 4.220 4.320 0.000 0.000 0.217 1287 A C 2.153 179.752 177.584 0.024 0.000 1.186 1287 A CA 1.868 53.910 52.037 0.008 0.000 0.624 1287 A CB -1.132 17.877 19.000 0.015 0.000 0.822 1287 A HN 0.461 nan 8.150 nan 0.000 0.444 1288 V N 0.272 120.226 119.914 0.067 0.000 2.660 1288 V HA -0.273 3.847 4.120 0.000 0.000 0.257 1288 V C 2.520 178.701 176.094 0.146 0.000 1.088 1288 V CA 2.351 64.713 62.300 0.104 0.000 1.106 1288 V CB -0.600 31.305 31.823 0.136 0.000 0.686 1288 V HN 0.601 nan 8.190 nan 0.000 0.481 1289 K N -0.021 120.409 120.400 0.050 0.000 2.044 1289 K HA -0.138 4.182 4.320 0.000 0.000 0.204 1289 K C 2.391 178.958 176.600 -0.054 0.000 1.049 1289 K CA 1.467 57.692 56.287 -0.104 0.000 0.945 1289 K CB -0.101 32.025 32.500 -0.623 0.000 0.724 1289 K HN 0.575 nan 8.250 nan 0.000 0.440 1290 E N 1.676 121.845 120.200 -0.052 0.000 2.049 1290 E HA -0.212 4.138 4.350 0.000 0.000 0.198 1290 E C 1.914 178.516 176.600 0.002 0.000 1.007 1290 E CA 1.772 58.155 56.400 -0.027 0.000 0.809 1290 E CB -0.934 28.755 29.700 -0.018 0.000 0.749 1290 E HN 0.415 nan 8.360 nan 0.000 0.450 1291 I N 0.143 120.725 120.570 0.019 0.000 2.145 1291 I HA -0.314 3.856 4.170 0.000 0.000 0.244 1291 I C 2.834 178.971 176.117 0.034 0.000 1.075 1291 I CA 1.663 62.983 61.300 0.034 0.000 1.332 1291 I CB -0.281 37.738 38.000 0.032 0.000 1.033 1291 I HN 0.289 nan 8.210 nan 0.000 0.410 1292 L N 0.049 121.296 121.223 0.040 0.000 1.961 1292 L HA -0.239 4.101 4.340 0.000 0.000 0.210 1292 L C 2.715 179.596 176.870 0.018 0.000 1.072 1292 L CA 1.319 56.182 54.840 0.038 0.000 0.749 1292 L CB -0.831 41.270 42.059 0.069 0.000 0.889 1292 L HN 0.143 nan 8.230 nan 0.000 0.432 1293 K N 0.391 120.794 120.400 0.004 0.000 2.049 1293 K HA -0.296 4.024 4.320 0.000 0.000 0.219 1293 K C 2.248 178.846 176.600 -0.004 0.000 1.056 1293 K CA 2.392 58.671 56.287 -0.014 0.000 0.946 1293 K CB -1.029 31.453 32.500 -0.030 0.000 0.723 1293 K HN 0.492 nan 8.250 nan 0.000 0.453 1294 E N 1.555 121.757 120.200 0.004 0.000 2.049 1294 E HA -0.302 4.048 4.350 0.000 0.000 0.198 1294 E C 2.013 178.623 176.600 0.018 0.000 1.007 1294 E CA 2.143 58.550 56.400 0.011 0.000 0.809 1294 E CB -0.783 28.929 29.700 0.020 0.000 0.749 1294 E HN 0.459 nan 8.360 nan 0.000 0.450 1295 Q N 0.173 119.990 119.800 0.027 0.000 2.135 1295 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 1295 Q C 2.128 178.140 176.000 0.020 0.000 0.981 1295 Q CA 2.433 58.255 55.803 0.033 0.000 0.856 1295 Q CB -0.210 28.552 28.738 0.040 0.000 0.902 1295 Q HN 0.777 nan 8.270 nan 0.000 0.425 1296 E N -0.675 119.532 120.200 0.012 0.000 2.028 1296 E HA -0.189 4.161 4.350 0.000 0.000 0.191 1296 E C 1.433 178.035 176.600 0.004 0.000 0.988 1296 E CA 1.382 57.785 56.400 0.005 0.000 0.799 1296 E CB -0.129 29.565 29.700 -0.009 0.000 0.755 1296 E HN 0.449 nan 8.360 nan 0.000 0.447 1297 N N -0.446 118.254 118.700 0.000 0.000 2.364 1297 N HA -0.152 4.588 4.740 0.000 0.000 0.183 1297 N C 1.738 177.250 175.510 0.004 0.000 1.022 1297 N CA 1.779 54.829 53.050 0.000 0.000 0.883 1297 N CB -0.333 38.153 38.487 -0.003 0.000 0.965 1297 N HN 0.183 nan 8.380 nan 0.000 0.438 1298 R N 0.733 121.238 120.500 0.008 0.000 2.297 1298 R HA 0.356 4.696 4.340 0.000 0.000 0.197 1298 R C 1.198 177.503 176.300 0.010 0.000 0.943 1298 R CA 1.233 57.338 56.100 0.009 0.000 1.038 1298 R CB -1.418 28.891 30.300 0.014 0.000 0.957 1298 R HN 0.290 nan 8.270 nan 0.000 0.484 1299 K N -1.303 119.103 120.400 0.011 0.000 3.291 1299 K HA -0.085 4.235 4.320 0.000 0.000 0.290 1299 K C 0.755 177.363 176.600 0.013 0.000 1.235 1299 K CA 1.211 57.505 56.287 0.011 0.000 0.848 1299 K CB -2.776 29.729 32.500 0.009 0.000 1.295 1299 K HN 1.685 nan 8.250 nan 0.000 0.497 1300 G N -0.722 108.089 108.800 0.018 0.000 2.528 1300 G HA2 0.673 4.633 3.960 0.000 0.000 0.289 1300 G HA3 0.673 4.633 3.960 0.000 0.000 0.289 1300 G C 0.097 175.008 174.900 0.019 0.000 1.192 1300 G CA -0.153 44.960 45.100 0.022 0.000 0.921 1300 G HN 1.201 nan 8.290 nan 0.000 0.512 1301 L N 0.083 121.314 121.223 0.015 0.000 2.326 1301 L HA 0.596 4.936 4.340 0.000 0.000 0.278 1301 L C -0.302 176.572 176.870 0.006 0.000 1.092 1301 L CA -0.239 54.604 54.840 0.005 0.000 0.810 1301 L CB 0.696 42.748 42.059 -0.013 0.000 1.153 1301 L HN 0.331 nan 8.230 nan 0.000 0.439 1302 I N 4.867 125.443 120.570 0.011 0.000 2.509 1302 I HA 0.677 4.847 4.170 0.000 0.000 0.293 1302 I C -0.439 175.699 176.117 0.035 0.000 1.020 1302 I CA -0.682 60.629 61.300 0.019 0.000 1.088 1302 I CB 1.867 39.882 38.000 0.025 0.000 1.267 1302 I HN 0.765 nan 8.210 nan 0.000 0.430 1303 A N 4.903 127.760 122.820 0.061 0.000 2.356 1303 A HA 0.935 5.255 4.320 0.000 0.000 0.310 1303 A C -0.940 176.834 177.584 0.317 0.000 1.075 1303 A CA -0.484 51.659 52.037 0.178 0.000 0.746 1303 A CB 1.568 20.565 19.000 -0.004 0.000 1.221 1303 A HN 0.801 nan 8.150 nan 0.000 0.443 1304 A N 2.109 125.119 122.820 0.317 0.000 2.414 1304 A HA 0.854 5.174 4.320 0.000 0.000 0.306 1304 A C -0.921 176.518 177.584 -0.242 0.000 1.054 1304 A CA -0.431 51.644 52.037 0.064 0.000 0.724 1304 A CB 1.066 20.056 19.000 -0.015 0.000 1.267 1304 A HN 1.433 nan 8.150 nan 0.000 0.418 1305 I N 1.241 121.566 120.570 -0.408 0.000 2.865 1305 I HA 0.516 4.686 4.170 0.000 0.000 0.302 1305 I C 0.726 176.672 176.117 -0.284 0.000 1.140 1305 I CA -0.069 60.872 61.300 -0.597 0.000 1.021 1305 I CB 1.712 39.075 38.000 -1.062 0.000 1.233 1305 I HN 1.441 nan 8.210 nan 0.000 0.427 1306 C N 3.999 123.181 119.300 -0.196 0.000 1.690 1306 C HA -0.342 4.118 4.460 0.000 0.000 0.095 1306 C C 2.091 177.061 174.990 -0.033 0.000 0.715 1306 C CA 1.400 60.382 59.018 -0.060 0.000 0.789 1306 C CB -1.677 26.008 27.740 -0.090 0.000 3.214 1306 C HN 1.110 nan 8.230 nan 0.000 1.074 1307 A N 0.838 123.620 122.820 -0.064 0.000 2.195 1307 A HA 0.453 4.773 4.320 0.000 0.000 0.210 1307 A C 2.184 179.730 177.584 -0.064 0.000 1.165 1307 A CA 1.867 53.874 52.037 -0.050 0.000 0.806 1307 A CB -0.966 17.994 19.000 -0.065 0.000 0.847 1307 A HN 2.066 nan 8.150 nan 0.000 0.482 1308 G N 1.697 110.445 108.800 -0.086 0.000 2.469 1308 G HA2 -0.226 3.734 3.960 0.000 0.000 0.219 1308 G HA3 -0.226 3.734 3.960 0.000 0.000 0.219 1308 G C -0.065 174.785 174.900 -0.083 0.000 1.150 1308 G CA 1.360 46.409 45.100 -0.086 0.000 0.763 1308 G HN 0.523 nan 8.290 nan 0.000 0.561 1309 P HA -0.127 nan 4.420 nan 0.000 0.223 1309 P C 1.902 179.138 177.300 -0.106 0.000 1.144 1309 P CA 1.897 64.934 63.100 -0.106 0.000 0.783 1309 P CB -0.490 31.133 31.700 -0.129 0.000 0.771 1310 T N -2.897 111.615 114.554 -0.071 0.000 2.962 1310 T HA 0.038 4.388 4.350 0.000 0.000 0.270 1310 T C 1.982 176.645 174.700 -0.061 0.000 1.088 1310 T CA 0.949 63.026 62.100 -0.040 0.000 1.127 1310 T CB -0.807 68.050 68.868 -0.017 0.000 0.883 1310 T HN 0.031 nan 8.240 nan 0.000 0.493 1311 A N 2.152 124.906 122.820 -0.110 0.000 1.902 1311 A HA 0.111 4.431 4.320 0.000 0.000 0.217 1311 A C 2.368 179.835 177.584 -0.195 0.000 1.181 1311 A CA 1.388 53.298 52.037 -0.212 0.000 0.623 1311 A CB -0.935 17.951 19.000 -0.189 0.000 0.818 1311 A HN 0.551 nan 8.150 nan 0.000 0.443 1312 L N -0.963 120.210 121.223 -0.083 0.000 2.043 1312 L HA -0.230 4.110 4.340 0.000 0.000 0.212 1312 L C 2.570 179.504 176.870 0.106 0.000 1.075 1312 L CA 1.461 56.300 54.840 -0.000 0.000 0.752 1312 L CB -0.773 41.285 42.059 -0.001 0.000 0.891 1312 L HN 0.490 nan 8.230 nan 0.000 0.432 1313 L N 0.490 121.819 121.223 0.176 0.000 2.005 1313 L HA -0.097 4.243 4.340 0.000 0.000 0.207 1313 L C 2.646 179.636 176.870 0.200 0.000 1.072 1313 L CA 2.035 57.089 54.840 0.356 0.000 0.744 1313 L CB -0.907 41.367 42.059 0.360 0.000 0.895 1313 L HN 0.132 nan 8.230 nan 0.000 0.433 1314 A N -1.582 121.281 122.820 0.071 0.000 2.084 1314 A HA -0.211 4.109 4.320 0.000 0.000 0.221 1314 A C 1.120 178.863 177.584 0.264 0.000 1.161 1314 A CA 1.798 53.874 52.037 0.064 0.000 0.653 1314 A CB -0.866 18.066 19.000 -0.113 0.000 0.802 1314 A HN 0.735 nan 8.150 nan 0.000 0.457 1315 H N -0.057 119.019 119.070 0.010 0.000 2.492 1315 H HA 0.212 4.768 4.556 0.000 0.000 0.264 1315 H C -0.369 174.874 175.328 -0.143 0.000 1.150 1315 H CA -0.438 55.585 56.048 -0.042 0.000 0.962 1315 H CB -0.357 29.382 29.762 -0.038 0.000 1.766 1315 H HN 0.568 nan 8.280 nan 0.000 0.589 1316 E N 1.049 121.196 120.200 -0.088 0.000 2.103 1316 E HA -0.202 4.148 4.350 0.000 0.000 0.186 1316 E C -0.365 175.759 176.600 -0.793 0.000 1.392 1316 E CA 0.459 56.442 56.400 -0.695 0.000 0.691 1316 E CB -1.403 28.070 29.700 -0.379 0.000 1.068 1316 E HN 0.367 nan 8.360 nan 0.000 0.328 1317 I N 0.396 120.686 120.570 -0.466 0.000 2.336 1317 I HA 0.250 4.420 4.170 0.000 0.000 0.292 1317 I C 1.494 177.514 176.117 -0.161 0.000 0.991 1317 I CA 0.471 61.624 61.300 -0.245 0.000 1.227 1317 I CB 0.951 38.922 38.000 -0.048 0.000 1.366 1317 I HN 0.425 nan 8.210 nan 0.000 0.466 1318 G N 6.161 114.876 108.800 -0.141 0.000 2.359 1318 G HA2 -0.275 3.685 3.960 0.000 0.000 0.298 1318 G HA3 -0.275 3.685 3.960 0.000 0.000 0.298 1318 G C -0.181 174.796 174.900 0.128 0.000 1.030 1318 G CA -0.344 44.773 45.100 0.027 0.000 1.149 1318 G HN 0.354 nan 8.290 nan 0.000 0.512 1319 F N 0.089 120.004 119.950 -0.058 0.000 2.484 1319 F HA 0.467 4.994 4.527 0.000 0.000 0.360 1319 F C 1.639 177.384 175.800 -0.092 0.000 1.101 1319 F CA 0.424 58.272 58.000 -0.253 0.000 1.251 1319 F CB 1.269 40.127 39.000 -0.237 0.000 1.132 1319 F HN 0.956 nan 8.300 nan 0.000 0.570 1320 G N 1.686 110.563 108.800 0.128 0.000 2.176 1320 G HA2 -0.222 3.738 3.960 0.000 0.000 0.232 1320 G HA3 -0.222 3.738 3.960 0.000 0.000 0.232 1320 G C 0.028 175.031 174.900 0.171 0.000 0.986 1320 G CA -0.019 45.157 45.100 0.125 0.000 0.643 1320 G HN 0.682 nan 8.290 nan 0.000 0.522 1321 S N 1.006 116.867 115.700 0.269 0.000 2.554 1321 S HA 0.529 4.999 4.470 0.000 0.000 0.278 1321 S C 0.305 175.042 174.600 0.228 0.000 1.242 1321 S CA -0.602 57.735 58.200 0.229 0.000 1.051 1321 S CB 1.435 64.773 63.200 0.231 0.000 0.986 1321 S HN 0.426 nan 8.310 nan 0.000 0.502 1322 K N 2.016 122.491 120.400 0.125 0.000 2.379 1322 K HA 0.381 4.701 4.320 0.000 0.000 0.284 1322 K C 0.019 176.630 176.600 0.018 0.000 1.044 1322 K CA -0.338 55.993 56.287 0.073 0.000 0.974 1322 K CB 0.227 32.746 32.500 0.032 0.000 0.962 1322 K HN 0.484 nan 8.250 nan 0.000 0.474 1323 V N -1.100 118.785 119.914 -0.048 0.000 3.156 1323 V HA 0.717 4.837 4.120 0.000 0.000 0.310 1323 V C -0.630 175.235 176.094 -0.381 0.000 1.234 1323 V CA -0.774 61.432 62.300 -0.157 0.000 1.065 1323 V CB 2.166 33.877 31.823 -0.188 0.000 1.088 1323 V HN 0.736 nan 8.190 nan 0.000 0.451 1324 T N 0.774 115.106 114.554 -0.371 0.000 3.041 1324 T HA 0.738 5.088 4.350 0.000 0.000 0.321 1324 T C -0.408 174.162 174.700 -0.217 0.000 1.184 1324 T CA 0.458 62.222 62.100 -0.561 0.000 1.050 1324 T CB 1.492 70.101 68.868 -0.433 0.000 1.159 1324 T HN 1.687 nan 8.240 nan 0.000 0.469 1325 T N 1.113 115.659 114.554 -0.013 0.000 2.768 1325 T HA 0.583 4.933 4.350 0.000 0.000 0.268 1325 T C -0.007 174.758 174.700 0.109 0.000 0.969 1325 T CA -0.621 61.526 62.100 0.078 0.000 1.008 1325 T CB 0.618 69.586 68.868 0.166 0.000 1.371 1325 T HN 0.779 nan 8.240 nan 0.000 0.587 1326 H N 0.904 119.987 119.070 0.021 0.000 2.629 1326 H HA 0.333 4.889 4.556 -0.000 0.000 0.357 1326 H C -1.873 173.488 175.328 0.056 0.000 1.121 1326 H CA -1.105 54.951 56.048 0.014 0.000 1.406 1326 H CB 0.961 30.712 29.762 -0.018 0.000 1.456 1326 H HN 0.251 nan 8.280 nan 0.000 0.579 1327 P HA -0.276 nan 4.420 nan 0.000 0.218 1327 P C 1.365 178.694 177.300 0.048 0.000 1.165 1327 P CA 1.838 64.854 63.100 -0.139 0.000 0.922 1327 P CB 0.084 31.624 31.700 -0.266 0.000 0.794 1328 L N -2.199 119.181 121.223 0.261 0.000 2.450 1328 L HA -0.105 4.235 4.340 0.000 0.000 0.224 1328 L C 2.048 178.994 176.870 0.127 0.000 1.149 1328 L CA 1.007 55.966 54.840 0.200 0.000 0.816 1328 L CB -0.750 41.436 42.059 0.211 0.000 0.932 1328 L HN -0.002 nan 8.230 nan 0.000 0.449 1329 A N -0.881 122.033 122.820 0.157 0.000 2.303 1329 A HA -0.012 4.308 4.320 0.000 0.000 0.217 1329 A C 2.176 179.789 177.584 0.049 0.000 1.205 1329 A CA 0.022 52.109 52.037 0.084 0.000 0.875 1329 A CB -0.017 19.039 19.000 0.093 0.000 0.910 1329 A HN 0.217 nan 8.150 nan 0.000 0.501 1330 K N 0.725 121.127 120.400 0.003 0.000 1.980 1330 K HA -0.268 4.052 4.320 0.000 0.000 0.223 1330 K C 1.294 177.824 176.600 -0.117 0.000 1.052 1330 K CA 2.157 58.350 56.287 -0.156 0.000 0.974 1330 K CB -0.315 31.916 32.500 -0.447 0.000 0.734 1330 K HN 0.325 nan 8.250 nan 0.000 0.447 1331 D N 0.458 120.794 120.400 -0.107 0.000 2.549 1331 D HA -0.253 4.387 4.640 0.000 0.000 0.199 1331 D C 1.106 177.400 176.300 -0.010 0.000 1.034 1331 D CA 2.340 56.304 54.000 -0.060 0.000 0.880 1331 D CB -1.047 39.729 40.800 -0.039 0.000 1.044 1331 D HN 0.481 nan 8.370 nan 0.000 0.469 1336 G N 1.717 110.452 108.800 -0.109 0.000 2.451 1336 G HA2 -0.176 3.784 3.960 0.000 0.000 0.296 1336 G HA3 -0.176 3.784 3.960 0.000 0.000 0.296 1336 G C 1.013 175.593 174.900 -0.533 0.000 0.922 1336 G CA 1.278 46.193 45.100 -0.308 0.000 1.074 1336 G HN 1.565 nan 8.290 nan 0.000 0.509 1337 G N -0.307 108.340 108.800 -0.255 0.000 2.098 1337 G HA2 -0.284 3.676 3.960 0.000 0.000 0.252 1337 G HA3 -0.284 3.676 3.960 0.000 0.000 0.252 1337 G C 0.725 175.446 174.900 -0.299 0.000 0.785 1337 G CA 0.728 45.716 45.100 -0.187 0.000 1.123 1337 G HN 0.835 nan 8.290 nan 0.000 0.375 1338 H N -1.079 117.892 119.070 -0.165 0.000 2.553 1338 H HA 0.217 4.773 4.556 0.000 0.000 0.265 1338 H C 0.332 175.377 175.328 -0.473 0.000 0.964 1338 H CA 0.720 56.458 56.048 -0.518 0.000 1.156 1338 H CB 0.496 29.691 29.762 -0.945 0.000 1.411 1338 H HN 0.656 nan 8.280 nan 0.000 0.558 1339 Y N -0.874 119.520 120.300 0.156 0.000 2.677 1339 Y HA 0.310 4.860 4.550 0.000 0.000 0.334 1339 Y C 0.417 176.392 175.900 0.126 0.000 1.154 1339 Y CA -1.048 57.155 58.100 0.171 0.000 1.070 1339 Y CB 1.038 39.620 38.460 0.204 0.000 1.294 1339 Y HN -0.302 nan 8.280 nan 0.000 0.475 1340 T N 0.430 115.163 114.554 0.298 0.000 2.928 1340 T HA 0.288 4.638 4.350 0.000 0.000 0.284 1340 T C -1.646 173.186 174.700 0.220 0.000 1.008 1340 T CA -0.432 61.787 62.100 0.200 0.000 1.057 1340 T CB 0.524 69.470 68.868 0.130 0.000 1.018 1340 T HN 0.405 nan 8.240 nan 0.000 0.493 1341 Y N 1.518 121.861 120.300 0.072 0.000 2.341 1341 Y HA 0.524 5.074 4.550 0.000 0.000 0.337 1341 Y C 0.265 176.183 175.900 0.030 0.000 1.014 1341 Y CA -0.426 57.702 58.100 0.046 0.000 1.111 1341 Y CB 1.386 39.866 38.460 0.032 0.000 1.194 1341 Y HN 0.617 nan 8.280 nan 0.000 0.462 1342 S N 3.305 118.731 115.700 -0.458 0.000 2.578 1342 S HA 0.403 4.873 4.470 0.000 0.000 0.301 1342 S C -0.171 174.196 174.600 -0.390 0.000 1.091 1342 S CA -0.562 57.473 58.200 -0.275 0.000 1.032 1342 S CB 1.125 64.203 63.200 -0.204 0.000 1.064 1342 S HN 0.855 nan 8.310 nan 0.000 0.508 1343 E N 1.575 121.698 120.200 -0.129 0.000 2.624 1343 E HA 0.209 4.559 4.350 0.000 0.000 0.210 1343 E C -0.465 176.101 176.600 -0.056 0.000 0.997 1343 E CA -0.336 56.030 56.400 -0.057 0.000 0.999 1343 E CB 0.333 30.065 29.700 0.053 0.000 1.040 1343 E HN 0.522 nan 8.360 nan 0.000 0.469 1344 N N 1.046 119.700 118.700 -0.077 0.000 2.482 1344 N HA 0.083 4.823 4.740 0.000 0.000 0.260 1344 N C 1.038 176.521 175.510 -0.046 0.000 1.236 1344 N CA 0.167 53.190 53.050 -0.044 0.000 0.938 1344 N CB 0.847 39.312 38.487 -0.036 0.000 1.128 1344 N HN 0.137 nan 8.380 nan 0.000 0.448 1345 R N -0.022 120.468 120.500 -0.018 0.000 2.081 1345 R HA -0.057 4.283 4.340 0.000 0.000 0.235 1345 R C 0.648 176.952 176.300 0.005 0.000 1.131 1345 R CA 1.036 57.132 56.100 -0.008 0.000 0.960 1345 R CB -0.172 30.138 30.300 0.016 0.000 0.856 1345 R HN 0.525 nan 8.270 nan 0.000 0.436 1346 V N -0.196 119.735 119.914 0.029 0.000 2.588 1346 V HA 0.501 4.621 4.120 0.000 0.000 0.304 1346 V C -1.191 174.921 176.094 0.031 0.000 1.042 1346 V CA -1.116 61.226 62.300 0.070 0.000 0.877 1346 V CB 2.035 33.933 31.823 0.124 0.000 0.996 1346 V HN -0.002 nan 8.190 nan 0.000 0.425 1347 E N 3.468 123.682 120.200 0.023 0.000 2.191 1347 E HA 0.494 4.844 4.350 0.000 0.000 0.263 1347 E C -0.997 175.614 176.600 0.019 0.000 0.881 1347 E CA -0.499 55.898 56.400 -0.004 0.000 0.757 1347 E CB 1.996 31.661 29.700 -0.057 0.000 1.147 1347 E HN 0.863 nan 8.360 nan 0.000 0.414 1348 K N 4.023 124.433 120.400 0.017 0.000 2.389 1348 K HA 0.277 4.597 4.320 0.000 0.000 0.261 1348 K C -1.382 175.230 176.600 0.019 0.000 1.014 1348 K CA -0.653 55.646 56.287 0.020 0.000 0.920 1348 K CB 0.782 33.290 32.500 0.013 0.000 1.149 1348 K HN 0.498 nan 8.250 nan 0.000 0.444 1349 D N 4.027 124.444 120.400 0.027 0.000 2.453 1349 D HA 0.306 4.946 4.640 0.000 0.000 0.238 1349 D C 0.658 176.981 176.300 0.039 0.000 1.088 1349 D CA 0.588 54.610 54.000 0.036 0.000 0.854 1349 D CB 1.241 42.072 40.800 0.051 0.000 1.076 1349 D HN 0.820 nan 8.370 nan 0.000 0.533 1350 G N 3.530 112.348 108.800 0.031 0.000 2.634 1350 G HA2 -0.305 3.655 3.960 0.000 0.000 0.309 1350 G HA3 -0.305 3.655 3.960 0.000 0.000 0.309 1350 G C 0.681 175.595 174.900 0.023 0.000 1.265 1350 G CA 0.480 45.597 45.100 0.028 0.000 0.998 1350 G HN 0.581 nan 8.290 nan 0.000 0.551 1351 L N 0.160 121.398 121.223 0.025 0.000 2.737 1351 L HA 0.449 4.789 4.340 0.000 0.000 0.236 1351 L C -0.072 176.813 176.870 0.026 0.000 1.219 1351 L CA -0.119 54.733 54.840 0.019 0.000 1.021 1351 L CB 0.036 42.106 42.059 0.018 0.000 1.291 1351 L HN 0.248 nan 8.230 nan 0.000 0.470 1352 I N 0.802 121.393 120.570 0.034 0.000 2.420 1352 I HA 0.280 4.450 4.170 0.000 0.000 0.282 1352 I C -0.604 175.538 176.117 0.043 0.000 1.019 1352 I CA -0.269 61.057 61.300 0.043 0.000 1.130 1352 I CB 1.791 39.829 38.000 0.063 0.000 1.262 1352 I HN -0.023 nan 8.210 nan 0.000 0.454 1353 L N 7.495 128.750 121.223 0.053 0.000 2.298 1353 L HA 0.680 5.020 4.340 0.000 0.000 0.284 1353 L C 0.076 177.066 176.870 0.200 0.000 1.013 1353 L CA -0.049 54.841 54.840 0.084 0.000 0.824 1353 L CB 1.006 43.077 42.059 0.020 0.000 1.221 1353 L HN 0.727 nan 8.230 nan 0.000 0.418 1354 T N 0.570 115.219 114.554 0.159 0.000 2.926 1354 T HA 0.770 5.120 4.350 0.000 0.000 0.289 1354 T C -0.486 174.263 174.700 0.081 0.000 1.054 1354 T CA -0.729 61.437 62.100 0.111 0.000 1.015 1354 T CB 1.991 70.835 68.868 -0.040 0.000 1.167 1354 T HN 0.482 nan 8.240 nan 0.000 0.526 1355 S N -0.988 114.630 115.700 -0.136 0.000 2.547 1355 S HA 0.470 4.940 4.470 0.000 0.000 0.270 1355 S C 0.023 174.497 174.600 -0.211 0.000 1.150 1355 S CA -0.954 57.145 58.200 -0.168 0.000 0.850 1355 S CB 1.453 64.515 63.200 -0.229 0.000 1.118 1355 S HN 0.864 nan 8.310 nan 0.000 0.461 1356 R N 1.200 121.625 120.500 -0.125 0.000 1.485 1356 R HA 0.326 4.666 4.340 0.000 0.000 0.072 1356 R C 1.407 177.681 176.300 -0.044 0.000 0.482 1356 R CA -0.017 56.035 56.100 -0.079 0.000 2.045 1356 R CB -0.996 29.259 30.300 -0.074 0.000 0.531 1356 R HN 0.635 nan 8.270 nan 0.000 0.758 1357 G N 0.448 109.268 108.800 0.034 0.000 2.583 1357 G HA2 0.061 4.021 3.960 0.000 0.000 0.275 1357 G HA3 0.061 4.021 3.960 0.000 0.000 0.275 1357 G C -1.791 173.128 174.900 0.033 0.000 1.342 1357 G CA -0.870 44.315 45.100 0.142 0.000 1.030 1357 G HN 0.201 nan 8.290 nan 0.000 0.520 1358 P HA -0.122 nan 4.420 nan 0.000 0.215 1358 P C 2.017 179.346 177.300 0.050 0.000 1.163 1358 P CA 2.000 65.110 63.100 0.017 0.000 0.894 1358 P CB -0.124 31.591 31.700 0.024 0.000 0.791 1359 G N -1.267 107.575 108.800 0.070 0.000 2.601 1359 G HA2 -0.218 3.742 3.960 0.000 0.000 0.214 1359 G HA3 -0.218 3.742 3.960 0.000 0.000 0.214 1359 G C 1.088 176.056 174.900 0.113 0.000 1.132 1359 G CA 1.527 46.685 45.100 0.097 0.000 0.761 1359 G HN 0.422 nan 8.290 nan 0.000 0.550 1360 T N -4.022 110.581 114.554 0.083 0.000 3.054 1360 T HA 0.261 4.611 4.350 0.000 0.000 0.255 1360 T C 2.144 176.927 174.700 0.138 0.000 1.035 1360 T CA 0.784 62.942 62.100 0.096 0.000 0.941 1360 T CB 0.293 69.182 68.868 0.035 0.000 1.026 1360 T HN 0.016 nan 8.240 nan 0.000 0.533 1361 S N 1.573 117.337 115.700 0.106 0.000 2.368 1361 S HA -0.073 4.397 4.470 0.000 0.000 0.226 1361 S C 1.277 175.917 174.600 0.066 0.000 1.044 1361 S CA 1.682 59.912 58.200 0.049 0.000 1.062 1361 S CB -0.579 62.560 63.200 -0.102 0.000 0.931 1361 S HN 0.585 nan 8.310 nan 0.000 0.440 1362 F N 1.488 121.491 119.950 0.089 0.000 2.102 1362 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 1362 F C 2.491 178.337 175.800 0.076 0.000 1.105 1362 F CA 1.219 59.261 58.000 0.070 0.000 1.239 1362 F CB -0.745 38.279 39.000 0.042 0.000 0.991 1362 F HN 0.124 nan 8.300 nan 0.000 0.474 1363 E N -0.213 120.155 120.200 0.281 0.000 2.085 1363 E HA -0.241 4.109 4.350 0.000 0.000 0.194 1363 E C 1.937 178.643 176.600 0.177 0.000 0.994 1363 E CA 1.409 57.918 56.400 0.182 0.000 0.801 1363 E CB -0.627 29.160 29.700 0.146 0.000 0.743 1363 E HN 0.357 nan 8.360 nan 0.000 0.453 1364 F N 0.891 120.861 119.950 0.033 0.000 2.134 1364 F HA -0.166 4.361 4.527 0.000 0.000 0.299 1364 F C 2.077 177.873 175.800 -0.008 0.000 1.097 1364 F CA 1.432 59.432 58.000 0.001 0.000 1.264 1364 F CB -0.567 38.423 39.000 -0.017 0.000 1.001 1364 F HN 0.022 nan 8.300 nan 0.000 0.479 1365 A N 0.584 123.396 122.820 -0.013 0.000 1.855 1365 A HA -0.092 4.228 4.320 0.000 0.000 0.215 1365 A C 2.330 179.860 177.584 -0.090 0.000 1.191 1365 A CA 1.637 53.601 52.037 -0.120 0.000 0.613 1365 A CB -1.197 17.768 19.000 -0.059 0.000 0.829 1365 A HN 0.438 nan 8.150 nan 0.000 0.442 1366 L N -0.586 120.638 121.223 0.003 0.000 2.079 1366 L HA -0.240 4.100 4.340 0.000 0.000 0.210 1366 L C 3.107 179.959 176.870 -0.030 0.000 1.081 1366 L CA 1.088 55.934 54.840 0.010 0.000 0.752 1366 L CB -0.726 41.368 42.059 0.058 0.000 0.896 1366 L HN 0.468 nan 8.230 nan 0.000 0.433 1367 A N 0.605 123.399 122.820 -0.044 0.000 1.892 1367 A HA -0.221 4.099 4.320 0.000 0.000 0.218 1367 A C 2.204 179.720 177.584 -0.114 0.000 1.188 1367 A CA 1.795 53.794 52.037 -0.063 0.000 0.631 1367 A CB -0.669 18.299 19.000 -0.054 0.000 0.822 1367 A HN 0.365 nan 8.150 nan 0.000 0.447 1368 I N -0.738 119.712 120.570 -0.200 0.000 2.142 1368 I HA -0.220 3.950 4.170 0.000 0.000 0.240 1368 I C 2.389 178.439 176.117 -0.112 0.000 1.078 1368 I CA 1.259 62.439 61.300 -0.201 0.000 1.343 1368 I CB -0.558 37.264 38.000 -0.297 0.000 1.046 1368 I HN 0.156 nan 8.210 nan 0.000 0.405 1369 V N 0.932 120.792 119.914 -0.089 0.000 2.282 1369 V HA -0.367 3.753 4.120 0.000 0.000 0.249 1369 V C 2.538 178.610 176.094 -0.037 0.000 1.057 1369 V CA 2.397 64.667 62.300 -0.050 0.000 1.032 1369 V CB -0.687 31.117 31.823 -0.031 0.000 0.645 1369 V HN 0.511 nan 8.190 nan 0.000 0.447 1370 E N -0.095 120.083 120.200 -0.035 0.000 2.038 1370 E HA -0.264 4.086 4.350 0.000 0.000 0.195 1370 E C 2.261 178.844 176.600 -0.027 0.000 1.000 1370 E CA 1.549 57.934 56.400 -0.024 0.000 0.803 1370 E CB -0.306 29.382 29.700 -0.020 0.000 0.750 1370 E HN 0.569 nan 8.360 nan 0.000 0.448 1371 A N 0.926 123.722 122.820 -0.039 0.000 1.883 1371 A HA -0.185 4.135 4.320 0.000 0.000 0.217 1371 A C 2.211 179.778 177.584 -0.029 0.000 1.186 1371 A CA 1.542 53.557 52.037 -0.036 0.000 0.624 1371 A CB -0.623 18.346 19.000 -0.052 0.000 0.822 1371 A HN 0.344 nan 8.150 nan 0.000 0.444 1372 L N -1.980 119.223 121.223 -0.034 0.000 2.249 1372 L HA 0.009 4.349 4.340 0.000 0.000 0.207 1372 L C 1.526 178.386 176.870 -0.016 0.000 1.090 1372 L CA 1.256 56.082 54.840 -0.023 0.000 0.802 1372 L CB -0.320 41.725 42.059 -0.024 0.000 0.947 1372 L HN 0.481 nan 8.230 nan 0.000 0.453 1373 N N -1.024 117.666 118.700 -0.017 0.000 2.171 1373 N HA 0.255 4.995 4.740 0.000 0.000 0.212 1373 N C 0.270 175.775 175.510 -0.009 0.000 1.184 1373 N CA 0.321 53.364 53.050 -0.011 0.000 0.888 1373 N CB 1.447 39.928 38.487 -0.010 0.000 1.038 1373 N HN 0.273 nan 8.380 nan 0.000 0.517 1374 G N 1.283 110.077 108.800 -0.011 0.000 2.612 1374 G HA2 -0.200 3.760 3.960 0.000 0.000 0.686 1374 G HA3 -0.200 3.760 3.960 0.000 0.000 0.686 1374 G C -0.047 174.849 174.900 -0.006 0.000 1.274 1374 G CA -0.686 44.410 45.100 -0.007 0.000 0.849 1374 G HN 0.038 nan 8.290 nan 0.000 0.595 1375 K N -0.126 120.272 120.400 -0.004 0.000 2.057 1375 K HA -0.052 4.268 4.320 0.000 0.000 0.206 1375 K C 2.274 178.874 176.600 -0.000 0.000 1.050 1375 K CA 1.612 57.898 56.287 -0.002 0.000 0.935 1375 K CB -0.025 32.474 32.500 -0.001 0.000 0.715 1375 K HN 0.606 nan 8.250 nan 0.000 0.439 1376 E N 0.796 120.996 120.200 -0.000 0.000 2.077 1376 E HA -0.181 4.169 4.350 0.000 0.000 0.193 1376 E C 1.901 178.502 176.600 0.002 0.000 0.989 1376 E CA 1.191 57.591 56.400 0.001 0.000 0.800 1376 E CB 0.196 29.896 29.700 0.000 0.000 0.746 1376 E HN 0.041 nan 8.360 nan 0.000 0.452 1377 V N 1.032 120.946 119.914 0.001 0.000 2.379 1377 V HA -0.201 3.919 4.120 0.000 0.000 0.245 1377 V C 2.438 178.534 176.094 0.004 0.000 1.044 1377 V CA 1.569 63.870 62.300 0.002 0.000 1.036 1377 V CB -0.677 31.146 31.823 -0.001 0.000 0.664 1377 V HN 0.399 nan 8.190 nan 0.000 0.453 1378 A N 0.244 123.065 122.820 0.002 0.000 1.940 1378 A HA -0.181 4.139 4.320 0.000 0.000 0.219 1378 A C 2.378 179.969 177.584 0.012 0.000 1.176 1378 A CA 2.244 54.284 52.037 0.006 0.000 0.631 1378 A CB -0.715 18.286 19.000 0.002 0.000 0.814 1378 A HN 0.585 nan 8.150 nan 0.000 0.446 1379 A N -0.940 121.885 122.820 0.008 0.000 2.014 1379 A HA -0.120 4.200 4.320 0.000 0.000 0.218 1379 A C 2.049 179.639 177.584 0.009 0.000 1.163 1379 A CA 1.408 53.450 52.037 0.008 0.000 0.652 1379 A CB -0.394 18.609 19.000 0.005 0.000 0.808 1379 A HN 0.676 nan 8.150 nan 0.000 0.449 1380 Q N -0.769 119.036 119.800 0.009 0.000 2.245 1380 Q HA 0.021 4.361 4.340 0.000 0.000 0.201 1380 Q C 1.791 177.799 176.000 0.014 0.000 0.955 1380 Q CA 1.081 56.889 55.803 0.009 0.000 0.870 1380 Q CB -0.030 28.713 28.738 0.007 0.000 0.945 1380 Q HN 0.467 nan 8.270 nan 0.000 0.461 1381 V N 0.953 120.878 119.914 0.019 0.000 2.788 1381 V HA -0.150 3.970 4.120 0.000 0.000 0.251 1381 V C 2.129 178.247 176.094 0.041 0.000 1.068 1381 V CA 1.308 63.625 62.300 0.029 0.000 1.090 1381 V CB -0.171 31.669 31.823 0.029 0.000 0.710 1381 V HN 0.240 nan 8.190 nan 0.000 0.467 1382 K N 0.428 120.849 120.400 0.035 0.000 2.031 1382 K HA -0.090 4.230 4.320 0.000 0.000 0.205 1382 K C 2.274 178.883 176.600 0.014 0.000 1.049 1382 K CA 1.247 57.556 56.287 0.035 0.000 0.939 1382 K CB -0.294 32.222 32.500 0.027 0.000 0.717 1382 K HN 0.374 nan 8.250 nan 0.000 0.438 1383 A N 2.007 124.832 122.820 0.008 0.000 1.881 1383 A HA -0.184 4.136 4.320 0.000 0.000 0.219 1383 A C -0.487 177.096 177.584 -0.002 0.000 1.215 1383 A CA 2.000 54.037 52.037 -0.000 0.000 0.648 1383 A CB -1.864 17.137 19.000 0.002 0.000 0.832 1383 A HN 0.363 nan 8.150 nan 0.000 0.455 1384 P HA -0.069 nan 4.420 nan 0.000 0.222 1384 P C 1.177 178.483 177.300 0.010 0.000 1.147 1384 P CA 0.707 63.813 63.100 0.010 0.000 0.790 1384 P CB -0.125 31.586 31.700 0.019 0.000 0.780 1385 L N -1.708 119.521 121.223 0.011 0.000 2.291 1385 L HA -0.049 4.291 4.340 0.000 0.000 0.214 1385 L C 0.559 177.388 176.870 -0.068 0.000 1.120 1385 L CA 0.283 55.121 54.840 -0.004 0.000 0.799 1385 L CB -0.656 41.411 42.059 0.013 0.000 0.925 1385 L HN -0.250 nan 8.230 nan 0.000 0.446 1386 V N 0.388 120.265 119.914 -0.062 0.000 6.110 1386 V HA -0.248 3.872 4.120 0.000 0.000 0.322 1386 V C 0.147 176.167 176.094 -0.123 0.000 0.518 1386 V CA 0.304 62.561 62.300 -0.071 0.000 0.655 1386 V CB -2.269 29.522 31.823 -0.053 0.000 0.283 1386 V HN 0.241 nan 8.190 nan 0.000 0.990 1387 L N 0.904 122.037 121.223 -0.151 0.000 2.319 1387 L HA 0.536 4.876 4.340 0.000 0.000 0.280 1387 L C 1.213 178.007 176.870 -0.126 0.000 1.099 1387 L CA 0.796 55.510 54.840 -0.210 0.000 0.828 1387 L CB 0.845 42.763 42.059 -0.235 0.000 1.150 1387 L HN 0.590 nan 8.230 nan 0.000 0.442 1388 K N 0.000 120.329 120.400 -0.118 0.000 2.780 1388 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1388 K CA 0.000 56.243 56.287 -0.073 0.000 0.838 1388 K CB 0.000 32.462 32.500 -0.063 0.000 1.064 1388 K HN 0.000 nan 8.250 nan 0.000 0.543